{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,14]],"date-time":"2026-01-14T20:53:28Z","timestamp":1768424008079,"version":"3.49.0"},"reference-count":55,"publisher":"MDPI AG","issue":"2","license":[{"start":{"date-parts":[[2022,1,20]],"date-time":"2022-01-20T00:00:00Z","timestamp":1642636800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"name":"ESI InternationalChair@CEU-UCH","award":["ESI InternationalChair@CEU-UCH"],"award-info":[{"award-number":["ESI InternationalChair@CEU-UCH"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Pharmaceuticals"],"abstract":"<jats:p>Currently, the development of resistance of Enterobacteriaceae bacteria is one of the most important health problems worldwide. Consequently, there is a growing urge for finding new compounds with antibacterial activity. Furthermore, it is very important to find antibacterial compounds with a good pharmacokinetic profile too, which will lead to more efficient and safer drugs. In this work, we have mathematically described a series of antibacterial quinolones by means of molecular topology. We have used molecular descriptors and related them to various pharmacological properties by using multilinear regression (MLR) analysis. The regression functions selected by presenting the best combination of a number of quality and validation metrics allowed for the reliable prediction of clearance (CL), and minimum inhibitory concentration 50 against Enterobacter aerogenes (MIC50Ea) and Proteus mirabilis (MIC50Pm). The obtained results clearly reveal that the combination of molecular topology methods and MLR provides an excellent tool for the prediction of pharmacokinetic properties and microbiological activities in both new and existing compounds with different pharmacological activities.<\/jats:p>","DOI":"10.3390\/ph15020122","type":"journal-article","created":{"date-parts":[[2022,1,20]],"date-time":"2022-01-20T22:51:06Z","timestamp":1642719066000},"page":"122","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["New Pharmacokinetic and Microbiological Prediction Equations to Be Used as Models for the Search of Antibacterial Drugs"],"prefix":"10.3390","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2231-090X","authenticated-orcid":false,"given":"Jose I.","family":"Bueso-Bordils","sequence":"first","affiliation":[{"name":"Departamento de Farmacia, Universidad Cardenal Herrera-CEU, CEU Universities C\/Ram\u00f3n y Cajal s\/n, Alfara del Patriarca, 46115 Valencia, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7386-5396","authenticated-orcid":false,"given":"Gerardo M.","family":"Ant\u00f3n-Fos","sequence":"additional","affiliation":[{"name":"Departamento de Farmacia, Universidad Cardenal Herrera-CEU, CEU Universities C\/Ram\u00f3n y Cajal s\/n, Alfara del Patriarca, 46115 Valencia, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6225-0935","authenticated-orcid":false,"given":"Antonio","family":"Falc\u00f3","sequence":"additional","affiliation":[{"name":"ESI International Chair@CEU-UCH, Departamento de Matem\u00e1ticas, F\u00edsica y Ciencias Tecnol\u00f3gicas, Universidad Cardenal Herrera-CEU, CEU Universities San Bartolom\u00e9 55, Alfara del Patriarca, 46115 Valencia, Spain"},{"name":"Departamento de Matem\u00e1ticas, F\u00edsica y Ciencias Tecnol\u00f3gicas, Universidad CEU Cardenal Herrera, CEU Universities, San Bartolom\u00e9 55, 46115 Alfara del Patriarca, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Maria J.","family":"Duart","sequence":"additional","affiliation":[{"name":"Departamento de Farmacia, Universidad Cardenal Herrera-CEU, CEU Universities C\/Ram\u00f3n y Cajal s\/n, Alfara del Patriarca, 46115 Valencia, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rafael","family":"Mart\u00edn-Algarra","sequence":"additional","affiliation":[{"name":"Departamento de Farmacia, Universidad Cardenal Herrera-CEU, CEU Universities C\/Ram\u00f3n y Cajal s\/n, Alfara del Patriarca, 46115 Valencia, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1558-0250","authenticated-orcid":false,"given":"Pedro A.","family":"Alem\u00e1n-L\u00f3pez","sequence":"additional","affiliation":[{"name":"Departamento de Farmacia, Universidad Cardenal Herrera-CEU, CEU Universities C\/Ram\u00f3n y Cajal s\/n, Alfara del Patriarca, 46115 Valencia, Spain"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2022,1,20]]},"reference":[{"key":"ref_1","unstructured":"Tacconelli, E., and Magrini, N. 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